4-[2-[8,8-dimethyl-5-(4-methylphenyl)-7,8a-dihydro-4aH-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8,8-dimethyl-5-(4-methylphenyl)-7,8a-dihydro-4aH-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8,8-dimethyl-5-(p-tolyl)-7,8a-dihydro-4aH-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8,8-dimethyl-5-(4-methylphenyl)-7,8a-dihydro-4aH-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8,8-dimethyl-5-(4-methylphenyl)-7,8a-dihydro-4aH-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8,8-dimethyl-5-(p-tolyl)-7,8a-dihydro-4aH-naphthalen-2-yl]ethynyl]benzoic acid Formula: C28H26O2 MolecularWeight: 394.50484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3C2C=CC(=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3C2C=CC(=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C28H26O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-18-21(10-15-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18,25-26H,17H2,1-3H3,(H,29,30)